3-(Pyridin-4-yl)isoxazol-5(4H)-one
TL;DR: 3-(Pyridin-4-yl)isoxazol-5(4H)-one (CAS 101084-52-0) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-4H-1,2-oxazol-5-one
Also Known As: 3-(Pyridin-4-yl)isoxazol-5(4H)-one, 3,4,5-trithiaheptane, 3-pyridin-4-yl-4H-1,2-oxazol-5-one, 2-Isoxazolin-5-one, 3-(4-pyridyl), 5(4H)-Isoxazolone, 3-(4-pyridinyl)-
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.7326 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 332.17093 |
Chemical Identifiers
| CAS Number | 101084-52-0 |
|---|---|
| SMILES | C1C(=NOC1=O)C2=CC=NC=C2 |
Product Overview
3-(Pyridin-4-yl)isoxazol-5(4H)-one (CAS 101084-52-0), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 3-pyridin-4-yl-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(Pyridin-4-yl)isoxazol-5(4H)-one
Property Insights of 3-(Pyridin-4-yl)isoxazol-5(4H)-one
The XLogP value of 0.7326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-4-yl)isoxazol-5(4H)-one. With a topological polar surface area (TPSA) of 51.55 Ų, 3-(Pyridin-4-yl)isoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyridin-4-yl)isoxazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Pyridin-4-yl)isoxazol-5(4H)-one?
The CAS number of 3-(Pyridin-4-yl)isoxazol-5(4H)-one is 101084-52-0.
What is the molecular formula of 3-(Pyridin-4-yl)isoxazol-5(4H)-one?
The molecular formula of 3-(Pyridin-4-yl)isoxazol-5(4H)-one is C8H6N2O2.
What is the molecular weight of 3-(Pyridin-4-yl)isoxazol-5(4H)-one?
The molecular weight of 3-(Pyridin-4-yl)isoxazol-5(4H)-one is 162.04 g/mol.
Where can I buy 3-(Pyridin-4-yl)isoxazol-5(4H)-one?
You can request a quote for 3-(Pyridin-4-yl)isoxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyridin-4-yl)isoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-4-yl)isoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.